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Pregnenolone Acetate - 99.0%, high purity , CAS No.1778-02-5

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Pregnenolone Acetate - 99.0%, high purity , CAS No.1778-02-5

COA

Grade & Purity:

≥99%

Cas Number: 1778-02-5
Molecular Weight: 358.52
Beilstein Registry Number: 2062850
PubChem CID: 2723722

In stock

Item Number

P579499

Grouped product items
SKU	Size	Availability	Price
P579499-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
P579499-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$56.90
P579499-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$250.90

View related series

Cell Cycle (2830)

Basic Description

Synonyms	PREGNENOLONE ACETATE \| 1778-02-5 \| Pregn-5-en-20-one, 3-(acetyloxy)-, (3beta)- \| Antofin \| Previsone \| MLS000069411 \| 0G0WWV404B \| DTXSID3048942 \| CHEBI:34930 \| 3beta-Acetoxy-5-pregnene-20-one \| 3beta-Hydroxypregn-5-en-20-one acetate \| Artivis \| Enescorb \| Sharmone \| Pregenolone ace
Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： Pregnenolone (P712200) derivative, a steroid hormone involved in the steroidogenesis of progesterone, mineralocorticoids, glucocorticoids, androgens, and estrogens.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Steroid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Steroid esters
Intermediate Tree Nodes	Not available
Direct Parent	Steroid esters
Alternative Parents	Pregnane steroids 20-oxosteroids Delta-5-steroids Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Pregnane-skeleton - Steroid ester - 20-oxosteroid - Oxosteroid - Delta-5-steroid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors	steroid ester
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
INCHI	InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKey	CRRKVZVYZQXICQ-RJJCNJEVSA-N
Smiles	CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
Isomeric SMILES	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
WGK Germany	3
PubChem CID	2723722
Molecular Weight	358.52
Beilstein	2062850

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
H2406540	Certificate of Analysis	Apr 25, 2024	P579499
H2406541	Certificate of Analysis	Apr 25, 2024	P579499

Chemical and Physical Properties

Solubility	H2O: Insoluble；DMSO: Insoluble( < 1 mg/ml refers to the product slightly soluble or insoluble )
Specific Rotation[α]	[α]D 20° (C=1,EtOH)
Melt Point(°C)	151 °C
Molecular Weight	358.500 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	358.251 Da
Monoisotopic Mass	358.251 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	650.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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